5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide

C16H20N2O2 — CID 106910296

IUPAC5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
SMILESCCCNCc1ccc(NC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-10-17-11-13-5-7-14(8-6-13)18-16(19)15-9-4-12(2)20-15/h4-9,17H,3,10-11H2,1-2H3,(H,18,19)
InChIKeyMRSQHJQSVLKUJO-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.34
Rot. Bonds6

About 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide

5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide (PubChem CID 106910296) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
PubChem CID106910296
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
SMILESCCCNCc1ccc(NC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-10-17-11-13-5-7-14(8-6-13)18-16(19)15-9-4-12(2)20-15/h4-9,17H,3,10-11H2,1-2H3,(H,18,19)
InChIKeyMRSQHJQSVLKUJO-UHFFFAOYSA-N
XLogP3.34
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
CID 52555638
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide
CID 47141294
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910350
N-[4-(1-hydroxyethyl)phenyl]-5-methylfuran-2-carboxamide
CID 43508359
N-[4-(dimethylcarbamoyl)phenyl]-5-methylfuran-2-carboxamide
CID 17394257
3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
CID 106910360
N-[4-[acetyl(methyl)amino]phenyl]-5-methylfuran-2-carboxamide
CID 17173460
N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide
CID 168597625
5-methyl-N-(phenylcarbamoyl)furan-2-carboxamide
CID 2753284
2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
CID 106910635

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide (CID 106910296) is 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide is CCCNCc1ccc(NC(=O)c2ccc(C)o2)cc1.
What is the InChIKey of 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide?
The InChIKey is MRSQHJQSVLKUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10-17-11-13-5-7-14(8-6-13)18-16(19)15-9-4-12(2)20-15/h4-9,17H,3,10-11H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide?
5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 106910296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).